#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t0g s GLY 2 N 0.00 0.20 0.03 3.03 0.00 -1.26 -3.27 107.32 106.04 1t0g s GLY 2 Ca 0.00 0.08 -0.28 0.00 0.00 0.00 0.00 44.72 44.52 1t0g s GLY 2 CO 0.00 1.72 0.67 -2.38 0.00 0.00 0.00 173.10 173.11 1t0g s HIS 3 N 2.21 -0.59 0.29 1.90 -3.43 -0.54 -5.03 115.29 110.11 1t0g s HIS 3 Ca 0.04 0.76 -0.29 0.00 -0.80 0.00 0.00 55.06 54.76 1t0g s HIS 3 Cb -0.14 0.48 -0.10 0.00 -1.43 0.00 0.00 32.58 31.39 1t0g s HIS 3 CO -0.08 -0.69 1.21 -3.38 -2.00 0.00 0.00 174.74 169.81 1t0g s HIS 4 N -2.25 3.31 0.10 0.38 0.00 -1.26 -0.69 115.29 114.87 1t0g s HIS 4 Ca -0.05 1.52 -0.14 0.00 -3.00 0.00 0.00 55.06 53.38 1t0g s HIS 4 Cb -0.00 -3.50 -0.12 0.00 -4.00 0.00 0.00 32.58 24.96 1t0g s HIS 4 CO -0.00 -1.28 1.36 1.25 -1.00 0.00 0.00 174.74 175.07 1t0g h HIS 5 N 3.82 0.93 -1.32 0.38 6.17 -1.75 -3.43 115.15 119.95 1t0g h HIS 5 Ca -0.47 -0.34 0.00 0.00 0.71 0.00 0.00 60.37 60.27 1t0g h HIS 5 Cb 1.22 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.98 1t0g h HIS 5 CO 0.58 1.13 0.00 -2.39 0.71 0.00 0.00 177.93 177.96 1t0g n HIS 6 N -4.14 -0.40 -1.60 5.26 1.44 -1.26 -5.02 115.22 109.51 1t0g n HIS 6 Ca -0.05 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.24 1t0g n HIS 6 Cb 0.58 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.66 1t0g n HIS 6 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1t0g n HIS 7 N 0.00 2.88 0.00 -1.40 -0.00 -1.26 -4.37 115.22 111.07 1t0g n HIS 7 Ca 0.00 -2.35 0.00 0.00 -0.00 0.00 0.00 57.72 55.37 1t0g n HIS 7 Cb 0.00 -2.22 0.00 0.00 -0.00 0.00 0.00 29.99 27.77 1t0g n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1t0g n HIS 8 N 7.57 0.00 -1.68 4.41 -0.00 -1.26 -5.14 115.22 119.12 1t0g n HIS 8 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.22 1t0g n HIS 8 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.40 1t0g n HIS 8 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1t0g n LEU 9 N 0.00 -4.65 -4.66 0.27 4.77 -1.26 -4.62 117.00 106.85 1t0g n LEU 9 Ca 0.00 1.78 -0.43 0.00 -0.03 0.00 0.00 56.01 57.33 1t0g n LEU 9 Cb 0.00 -2.32 -0.02 0.00 -2.33 0.00 0.00 43.42 38.75 1t0g n LEU 9 CO 0.00 -1.51 1.05 -1.83 -1.33 0.00 0.00 177.39 173.77 1t0g s GLU 10 N -1.32 4.24 -0.01 3.23 1.03 -1.26 -2.52 118.70 122.09 1t0g s GLU 10 Ca 0.00 1.60 -0.30 0.00 0.03 0.00 0.00 54.97 56.30 1t0g s GLU 10 Cb 0.00 -3.74 -0.03 0.00 -0.80 0.00 0.00 34.13 29.56 1t0g s GLU 10 CO 0.00 -0.69 0.98 -2.00 -1.33 0.00 0.00 175.26 172.22 1t0g s GLU 11 N 3.44 4.55 0.21 -4.83 2.12 0.14 -0.71 118.70 123.61 1t0g s GLU 11 Ca 0.53 1.41 0.11 0.00 0.36 0.00 0.00 54.97 57.38 1t0g s GLU 11 Cb -0.20 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 1t0g s GLU 11 CO 0.13 -0.06 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.49 1t0g s PHE 12 N 1.07 2.31 0.11 5.30 0.08 0.28 -1.46 117.98 125.67 1t0g s PHE 12 Ca 0.52 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 57.27 1t0g s PHE 12 Cb -0.21 -1.12 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 1t0g s PHE 12 CO 0.27 0.53 0.02 0.99 -0.10 0.00 0.00 175.22 176.93 1t0g s THR 13 N -1.80 4.03 0.24 0.64 2.01 -1.20 0.22 115.64 119.77 1t0g s THR 13 Ca 0.22 -1.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.11 1t0g s THR 13 Cb -0.07 -2.96 0.13 0.00 0.01 0.00 0.00 72.50 69.61 1t0g s THR 13 CO 0.11 0.05 1.76 0.00 -0.69 0.00 0.00 174.62 175.86 1t0g h ALA 14 N 3.19 1.07 -0.03 7.40 0.00 -1.53 0.43 119.26 129.78 1t0g h ALA 14 Ca -0.47 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 1t0g h ALA 14 Cb 1.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1t0g h ALA 14 CO 0.60 0.61 -0.37 0.93 0.00 0.00 0.00 179.25 181.02 1t0g h GLU 15 N 0.93 0.06 0.06 0.00 5.08 -1.96 -2.78 114.58 115.97 1t0g h GLU 15 Ca 0.20 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.27 1t0g h GLU 15 Cb 0.35 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.61 1t0g h GLU 15 CO 0.00 0.43 -1.09 1.96 -1.00 0.00 0.00 179.01 179.31 1t0g h GLN 16 N 0.06 0.47 -0.12 2.33 7.50 -1.52 -3.32 115.11 120.52 1t0g h GLN 16 Ca 0.00 -0.58 -0.03 0.00 0.50 0.00 0.00 58.65 58.54 1t0g h GLN 16 Cb 0.68 0.18 -0.01 0.00 0.05 0.00 0.00 27.48 28.38 1t0g h GLN 16 CO 0.05 1.22 -0.08 1.25 -1.50 0.00 0.00 178.83 179.77 1t0g h LEU 17 N 0.23 0.16 0.00 1.46 5.85 0.04 -2.99 115.31 120.06 1t0g h LEU 17 Ca -0.12 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1t0g h LEU 17 Cb 1.75 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.74 1t0g h LEU 17 CO 0.20 0.27 0.00 -1.54 -0.34 0.00 0.00 178.44 177.02 1t0g n SER 18 N -4.35 0.00 -0.00 1.25 3.41 -0.96 -0.39 113.62 112.58 1t0g n SER 18 Ca -0.01 -0.73 0.07 0.00 -0.26 0.00 0.00 58.87 57.94 1t0g n SER 18 Cb 0.21 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 1t0g n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t0g n GLN 19 N -0.59 1.24 -0.99 4.33 6.02 -1.13 -4.46 117.38 121.80 1t0g n GLN 19 Ca 0.02 -0.07 -0.21 0.00 -0.01 0.00 0.00 57.00 56.72 1t0g n GLN 19 Cb 0.01 -1.29 0.06 0.00 1.02 0.00 0.00 30.24 30.04 1t0g n GLN 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1t0g n TYR 20 N -1.71 2.00 0.60 1.08 4.01 0.48 -4.35 117.16 119.26 1t0g n TYR 20 Ca -0.00 -2.18 0.13 0.00 -0.16 0.00 0.00 57.90 55.68 1t0g n TYR 20 Cb 0.32 -1.06 0.41 0.00 -0.31 0.00 0.00 39.34 38.70 1t0g n TYR 20 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1t0g n ASN 21 N -0.05 0.81 0.00 7.72 0.23 -1.26 -2.65 115.26 120.07 1t0g n ASN 21 Ca 0.39 0.59 0.00 0.00 -0.53 0.00 0.00 54.58 55.03 1t0g n ASN 21 Cb 0.65 -0.80 0.00 0.00 -2.08 0.00 0.00 39.78 37.55 1t0g n ASN 21 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1t0g n GLY 22 N 1.16 1.45 0.23 4.83 0.00 -1.25 -4.31 105.19 107.29 1t0g n GLY 22 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1t0g n GLY 22 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1t0g n THR 23 N -2.00 0.00 -2.63 2.61 5.66 -1.26 -4.43 114.28 112.23 1t0g n THR 23 Ca 0.00 -0.12 -0.42 0.00 -3.05 0.00 0.00 64.05 60.46 1t0g n THR 23 Cb 0.00 0.87 -0.01 0.00 -1.55 0.00 0.00 70.33 69.64 1t0g n THR 23 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1t0g s ASP 24 N -2.72 6.73 0.00 1.09 2.15 -1.26 -4.66 116.67 118.00 1t0g s ASP 24 Ca 0.15 -2.14 0.00 0.00 0.43 0.00 0.00 52.55 50.99 1t0g s ASP 24 Cb 0.18 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1t0g s ASP 24 CO 0.67 -1.24 0.00 -0.62 -0.17 0.00 0.00 175.17 173.81 1t0g n GLU 25 N 8.18 0.00 -0.27 4.34 1.02 -1.26 -1.23 120.64 131.41 1t0g n GLU 25 Ca 0.41 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1t0g n GLU 25 Cb 0.48 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.89 1t0g n GLU 25 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1t0g n SER 26 N 1.65 -0.01 -4.76 1.62 2.88 -1.26 -5.12 113.62 108.62 1t0g n SER 26 Ca 0.00 -0.54 -0.37 0.00 -1.33 0.00 0.00 58.87 56.64 1t0g n SER 26 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1t0g n SER 26 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1t0g s LYS 27 N 0.00 3.30 0.63 -1.46 1.02 -0.37 -4.97 119.74 117.90 1t0g s LYS 27 Ca 0.00 1.85 -0.18 0.00 0.02 0.00 0.00 55.97 57.67 1t0g s LYS 27 Cb 0.00 -2.15 -0.05 0.00 -0.52 0.00 0.00 37.83 35.12 1t0g s LYS 27 CO 0.00 -0.95 0.83 -2.30 -0.92 0.00 0.00 175.35 172.01 1t0g n PRO 28 N -1.10 0.69 -5.18 -1.68 -0.02 -1.26 -3.95 135.00 122.50 1t0g n PRO 28 Ca 0.11 0.28 -0.32 0.00 -2.02 0.00 0.00 63.50 61.55 1t0g n PRO 28 Cb 0.48 -2.05 -0.16 0.00 -0.02 0.00 0.00 33.50 31.76 1t0g n PRO 28 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1t0g s ILE 29 N -1.63 2.29 -0.03 4.25 1.01 -1.25 -4.18 121.20 121.66 1t0g s ILE 29 Ca 0.74 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 1t0g s ILE 29 Cb -0.40 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.23 1t0g s ILE 29 CO 0.49 0.57 0.20 -0.31 0.00 0.00 0.00 174.94 175.90 1t0g s TYR 30 N -0.30 -0.09 -0.02 3.97 2.02 -1.13 -1.21 117.35 120.59 1t0g s TYR 30 Ca 0.01 0.17 0.04 0.00 -0.37 0.00 0.00 57.07 56.92 1t0g s TYR 30 Cb -0.13 0.02 -0.01 0.00 -0.40 0.00 0.00 41.96 41.45 1t0g s TYR 30 CO 0.02 -0.26 -0.14 0.54 -1.57 0.00 0.00 175.55 174.14 1t0g s VAL 31 N -0.92 1.17 -0.19 0.71 0.11 -0.18 0.43 120.40 121.53 1t0g s VAL 31 Ca -0.10 -0.60 -0.03 0.00 -2.93 0.00 0.00 61.98 58.32 1t0g s VAL 31 Cb -0.05 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.79 1t0g s VAL 31 CO 0.02 0.34 -0.06 0.00 -3.33 0.00 0.00 175.10 172.06 1t0g s ALA 32 N -0.11 2.80 -0.16 1.54 0.00 -1.23 0.48 121.76 125.08 1t0g s ALA 32 Ca 0.01 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.92 1t0g s ALA 32 Cb -0.08 -1.56 0.04 0.00 0.00 0.00 0.00 23.12 21.51 1t0g s ALA 32 CO 0.00 -0.16 -0.08 0.42 0.00 0.00 0.00 175.76 175.94 1t0g s ILE 33 N 1.03 1.25 0.00 0.00 1.01 0.14 -1.55 121.20 123.08 1t0g s ILE 33 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1t0g s ILE 33 Cb -0.15 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 40.99 1t0g s ILE 33 CO -0.00 0.23 0.00 0.29 0.00 0.00 0.00 174.94 175.46 1t0g n LYS 34 N 4.84 -0.92 0.00 2.79 4.76 -1.26 -1.70 118.16 126.67 1t0g n LYS 34 Ca -0.13 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1t0g n LYS 34 Cb 0.48 -3.94 0.00 0.00 -1.84 0.00 0.00 35.03 29.73 1t0g n LYS 34 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1t0g n GLY 35 N -1.12 1.15 3.71 0.72 0.00 -1.26 -5.02 105.19 103.37 1t0g n GLY 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1t0g n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t0g s ARG 36 N -0.97 4.57 -0.15 1.61 0.52 -0.69 -0.05 118.95 123.80 1t0g s ARG 36 Ca 0.00 1.43 -0.15 0.00 -0.52 0.00 0.00 55.73 56.49 1t0g s ARG 36 Cb 0.00 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 1t0g s ARG 36 CO 0.00 -0.02 0.35 0.08 0.02 0.00 0.00 175.30 175.72 1t0g s VAL 37 N 0.90 5.27 -0.06 3.52 1.01 0.32 -0.68 120.40 130.68 1t0g s VAL 37 Ca 0.52 0.66 -0.01 0.00 0.00 0.00 0.00 61.98 63.15 1t0g s VAL 37 Cb -0.21 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1t0g s VAL 37 CO 0.28 0.37 0.00 -0.36 0.00 0.00 0.00 175.10 175.39 1t0g s PHE 38 N 0.53 3.14 -0.14 5.22 0.40 0.18 0.92 117.98 128.23 1t0g s PHE 38 Ca 0.19 0.16 -0.26 0.00 -0.60 0.00 0.00 56.93 56.43 1t0g s PHE 38 Cb -0.14 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 1t0g s PHE 38 CO 0.06 0.47 0.84 0.34 0.70 0.00 0.00 175.22 177.63 1t0g s ASP 39 N -1.06 7.02 -0.07 1.36 -1.08 -1.04 -1.01 116.67 120.78 1t0g s ASP 39 Ca 0.15 1.25 0.11 0.00 -0.52 0.00 0.00 52.55 53.54 1t0g s ASP 39 Cb -0.11 -2.47 0.17 0.00 -1.46 0.00 0.00 42.92 39.05 1t0g s ASP 39 CO 0.04 -0.36 1.06 1.33 0.52 0.00 0.00 175.17 177.76 1t0g n VAL 40 N 4.54 1.20 -0.16 1.11 0.24 -0.35 -4.65 118.33 120.26 1t0g n VAL 40 Ca 0.04 -1.42 -0.08 0.00 -2.04 0.00 0.00 64.34 60.85 1t0g n VAL 40 Cb 0.49 0.10 0.07 0.00 -1.47 0.00 0.00 33.84 33.04 1t0g n VAL 40 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1t0g h THR 41 N 1.96 1.26 0.00 3.34 2.02 -1.72 -1.08 112.91 118.69 1t0g h THR 41 Ca 0.00 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 1t0g h THR 41 Cb 1.04 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1t0g h THR 41 CO 0.00 0.41 -0.03 0.71 0.37 0.00 0.00 175.52 176.98 1t0g h THR 42 N 0.87 0.29 -1.02 3.16 1.35 -1.87 -2.35 112.91 113.34 1t0g h THR 42 Ca 0.15 -0.18 -0.60 0.00 -0.55 0.00 0.00 66.41 65.23 1t0g h THR 42 Cb 0.57 1.13 -0.39 0.00 -1.73 0.00 0.00 68.15 67.73 1t0g h THR 42 CO 0.03 0.03 -0.33 0.61 -0.25 0.00 0.00 175.52 175.61 1t0g n GLY 43 N -0.95 6.17 0.28 5.82 0.00 -0.43 -4.80 105.19 111.29 1t0g n GLY 43 Ca -0.02 -2.60 0.10 0.00 0.00 0.00 0.00 46.02 43.49 1t0g n GLY 43 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1t0g h LYS 44 N 2.27 0.02 0.00 1.61 3.11 -1.21 0.88 116.57 123.24 1t0g h LYS 44 Ca 0.42 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.26 1t0g h LYS 44 Cb 1.18 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.41 1t0g h LYS 44 CO 0.99 0.02 0.00 0.43 -2.81 0.00 0.00 179.45 178.08 1t0g n SER 45 N -4.52 0.00 -0.04 4.20 7.64 -1.26 -0.39 113.62 119.26 1t0g n SER 45 Ca -0.01 0.16 -0.04 0.00 1.01 0.00 0.00 58.87 59.98 1t0g n SER 45 Cb 0.16 -0.37 -0.05 0.00 -1.01 0.00 0.00 64.21 62.95 1t0g n SER 45 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1t0g n PHE 46 N -1.37 0.00 -0.07 1.43 3.72 0.11 -3.77 117.46 117.50 1t0g n PHE 46 Ca 0.09 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.40 1t0g n PHE 46 Cb 0.22 -0.33 -0.09 0.00 -0.94 0.00 0.00 39.48 38.34 1t0g n PHE 46 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1t0g n TYR 47 N -2.44 0.00 0.00 1.38 4.02 -0.07 -1.58 117.16 118.46 1t0g n TYR 47 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 1t0g n TYR 47 Cb 0.69 -0.64 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 1t0g n TYR 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1t0g n GLY 48 N 2.45 0.34 0.48 2.72 0.00 0.12 -3.73 105.19 107.55 1t0g n GLY 48 Ca -0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.89 1t0g n GLY 48 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t0g n SER 49 N -0.95 1.46 -1.64 1.61 2.88 0.48 -2.88 113.62 114.57 1t0g n SER 49 Ca 0.00 -1.58 0.02 0.00 -1.33 0.00 0.00 58.87 55.98 1t0g n SER 49 Cb 0.00 -0.05 0.01 0.00 -0.75 0.00 0.00 64.21 63.42 1t0g n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t0g n GLY 50 N 1.13 1.06 3.56 0.46 0.00 -1.20 -4.97 105.19 105.24 1t0g n GLY 50 Ca 0.18 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 1t0g n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t0g s GLY 51 N -2.09 -0.36 0.29 -0.02 0.00 -1.14 -4.18 107.32 99.82 1t0g s GLY 51 Ca 0.28 -0.88 0.16 0.00 0.00 0.00 0.00 44.72 44.28 1t0g s GLY 51 CO -0.13 3.91 1.48 -1.80 0.00 0.00 0.00 173.10 176.56 1t0g h ASP 52 N 13.54 0.00 -0.64 1.64 3.58 -1.56 -3.06 116.42 129.92 1t0g h ASP 52 Ca -0.03 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.01 1t0g h ASP 52 Cb 1.06 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 41.86 1t0g h ASP 52 CO 1.11 0.48 -0.05 -1.22 -2.88 0.00 0.00 179.24 176.67 1t0g n TYR 53 N -3.24 2.12 0.27 0.28 4.01 -1.23 -4.74 117.16 114.61 1t0g n TYR 53 Ca 0.02 -2.10 0.14 0.00 -0.16 0.00 0.00 57.90 55.80 1t0g n TYR 53 Cb 0.71 -0.68 0.68 0.00 -0.31 0.00 0.00 39.34 39.74 1t0g n TYR 53 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1t0g h SER 54 N 1.54 0.00 0.68 7.72 0.87 -1.64 0.20 113.55 122.92 1t0g h SER 54 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1t0g h SER 54 Cb 1.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 1t0g h SER 54 CO 0.79 0.00 -0.23 0.23 -0.53 0.00 0.00 176.83 177.09 1t0g n MET 55 N -2.48 0.12 -0.04 2.24 2.81 -1.26 -3.24 117.12 115.27 1t0g n MET 55 Ca -0.01 -0.05 -0.19 0.00 -1.81 0.00 0.00 57.70 55.65 1t0g n MET 55 Cb 0.12 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.00 1t0g n MET 55 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1t0g n PHE 56 N -1.40 0.82 -1.63 2.03 3.01 0.62 -4.35 117.46 116.56 1t0g n PHE 56 Ca 0.08 0.19 -0.41 0.00 1.01 0.00 0.00 57.45 58.31 1t0g n PHE 56 Cb 0.33 -1.11 -0.03 0.00 -0.01 0.00 0.00 39.48 38.66 1t0g n PHE 56 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1t0g s ALA 57 N -2.55 2.44 0.00 4.37 0.00 -0.58 -1.24 121.76 124.20 1t0g s ALA 57 Ca -0.24 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1t0g s ALA 57 Cb 0.07 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 19.05 1t0g s ALA 57 CO 0.73 -3.24 0.00 0.41 0.00 0.00 0.00 175.76 173.66 1t0g n GLY 58 N 5.80 0.48 3.03 0.00 0.00 0.17 -4.09 105.19 110.58 1t0g n GLY 58 Ca 0.31 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 1t0g n GLY 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1t0g s LYS 59 N -0.92 0.18 -0.57 1.61 2.47 -0.37 -2.27 119.74 119.87 1t0g s LYS 59 Ca 0.00 0.38 -0.27 0.00 -1.56 0.00 0.00 55.97 54.52 1t0g s LYS 59 Cb 0.00 -0.04 -0.09 0.00 -1.46 0.00 0.00 37.83 36.24 1t0g s LYS 59 CO 0.00 -0.11 2.46 -0.40 0.16 0.00 0.00 175.35 177.46 1t0g n ASP 60 N 3.69 2.00 -1.52 1.43 5.75 -1.26 -3.49 116.55 123.15 1t0g n ASP 60 Ca -0.20 -0.47 -0.01 0.00 -0.01 0.00 0.00 54.79 54.10 1t0g n ASP 60 Cb 0.55 -1.50 0.28 0.00 -1.03 0.00 0.00 41.12 39.42 1t0g n ASP 60 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1t0g n ALA 61 N 15.32 4.05 0.07 2.12 0.00 -0.59 -1.90 120.51 139.57 1t0g n ALA 61 Ca 0.42 -2.47 -0.12 0.00 0.00 0.00 0.00 53.44 51.26 1t0g n ALA 61 Cb 0.47 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.86 1t0g n ALA 61 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1t0g h SER 62 N 2.16 -0.15 0.40 0.00 0.02 -1.18 -0.90 113.55 113.90 1t0g h SER 62 Ca 0.17 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1t0g h SER 62 Cb 1.95 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 64.53 1t0g h SER 62 CO 0.52 -0.09 -0.42 -0.09 -1.14 0.00 0.00 176.83 175.61 1t0g h ARG 63 N -0.13 0.03 -0.18 3.45 2.43 -0.39 -3.20 114.38 116.39 1t0g h ARG 63 Ca 0.00 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 1t0g h ARG 63 Cb 0.12 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1t0g h ARG 63 CO -0.02 0.45 -0.27 0.00 -1.51 0.00 0.00 179.97 178.62 1t0g h ALA 64 N 1.55 1.19 -0.25 2.80 0.00 -1.01 -0.92 119.26 122.63 1t0g h ALA 64 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1t0g h ALA 64 Cb 0.76 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1t0g h ALA 64 CO 0.06 0.52 0.11 -0.07 0.00 0.00 0.00 179.25 179.87 1t0g h LEU 65 N 0.31 0.30 -1.33 0.00 3.38 -1.20 0.85 115.31 117.61 1t0g h LEU 65 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1t0g h LEU 65 Cb 0.65 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1t0g h LEU 65 CO 0.05 0.27 -0.08 0.61 0.09 0.00 0.00 178.44 179.37 1t0g n GLY 66 N -1.35 0.37 0.31 0.83 0.00 -0.38 -3.77 105.19 101.19 1t0g n GLY 66 Ca 0.01 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 1t0g n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1t0g n LYS 67 N 0.57 0.41 -1.03 1.61 4.76 -0.74 -4.81 118.16 118.92 1t0g n LYS 67 Ca 0.15 0.15 -0.01 0.00 -2.87 0.00 0.00 58.31 55.73 1t0g n LYS 67 Cb 0.47 -1.22 -0.00 0.00 -1.84 0.00 0.00 35.03 32.43 1t0g n LYS 67 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1t0g n MET 68 N -3.54 -0.23 -3.50 1.97 2.81 0.29 -5.00 117.12 109.92 1t0g n MET 68 Ca -0.34 0.28 -0.36 0.00 -1.81 0.00 0.00 57.70 55.46 1t0g n MET 68 Cb 0.78 -3.64 -0.06 0.00 -0.71 0.00 0.00 33.22 29.59 1t0g n MET 68 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1t0g s SER 69 N -2.40 6.76 0.00 7.83 0.01 -1.25 -4.98 113.70 119.67 1t0g s SER 69 Ca 0.00 0.93 0.18 0.00 1.31 0.00 0.00 55.95 58.36 1t0g s SER 69 Cb 0.00 -2.23 -0.10 0.00 0.21 0.00 0.00 66.02 63.89 1t0g s SER 69 CO 0.00 0.24 0.82 0.29 0.41 0.00 0.00 173.24 175.01 1t0g n LYS 70 N 1.36 1.42 -2.18 12.44 5.02 -1.26 -4.71 118.16 130.25 1t0g n LYS 70 Ca -0.11 -0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 55.36 1t0g n LYS 70 Cb 0.52 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 1t0g n LYS 70 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1t0g s ASN 71 N -2.37 6.84 0.51 4.39 4.22 -1.26 -4.90 114.94 122.37 1t0g s ASN 71 Ca 0.10 2.42 0.19 0.00 -2.14 0.00 0.00 52.86 53.44 1t0g s ASN 71 Cb 0.14 -2.61 1.28 0.00 1.28 0.00 0.00 41.25 41.34 1t0g s ASN 71 CO 0.59 -0.58 2.07 -0.33 -2.04 0.00 0.00 177.10 176.81 1t0g h GLU 72 N 5.65 0.06 0.00 3.55 5.08 -1.92 -1.46 114.58 125.54 1t0g h GLU 72 Ca -0.44 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1t0g h GLU 72 Cb 1.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1t0g h GLU 72 CO 0.79 0.04 0.00 0.93 -1.00 0.00 0.00 179.01 179.77 1t0g h GLU 73 N 0.06 0.00 -0.02 2.33 4.39 -1.97 -1.61 114.58 117.76 1t0g h GLU 73 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1t0g h GLU 73 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1t0g h GLU 73 CO -0.01 0.00 -0.05 -0.25 -1.16 0.00 0.00 179.01 177.54 1t0g n ASP 74 N -2.92 2.27 -4.52 1.42 8.00 -0.55 -4.80 116.55 115.44 1t0g n ASP 74 Ca 0.01 -1.72 -0.39 0.00 0.71 0.00 0.00 54.79 53.41 1t0g n ASP 74 Cb 0.32 0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 41.35 1t0g n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1t0g s VAL 75 N -2.07 5.00 0.08 2.53 1.01 -0.61 -2.61 120.40 123.74 1t0g s VAL 75 Ca 0.31 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 1t0g s VAL 75 Cb 0.20 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 33.18 1t0g s VAL 75 CO 0.35 0.14 0.66 -0.55 0.00 0.00 0.00 175.10 175.70 1t0g s SER 76 N 1.70 -0.57 0.00 3.32 0.15 -0.80 -4.92 113.70 112.58 1t0g s SER 76 Ca 0.06 0.21 0.27 0.00 0.70 0.00 0.00 55.95 57.19 1t0g s SER 76 Cb -0.17 0.56 0.87 0.00 -1.71 0.00 0.00 66.02 65.57 1t0g s SER 76 CO 0.09 -0.82 1.64 -0.81 1.20 0.00 0.00 173.24 174.54 1t0g n PRO 77 N 0.01 0.41 -3.42 5.44 -0.04 -1.25 0.14 135.00 136.29 1t0g n PRO 77 Ca -0.17 -0.19 -0.28 0.00 -0.04 0.00 0.00 63.50 62.82 1t0g n PRO 77 Cb 0.62 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 1t0g n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1t0g s SER 78 N -2.72 6.41 -0.86 3.54 0.15 -1.26 -4.72 113.70 114.24 1t0g s SER 78 Ca 0.20 0.61 -0.00 0.00 0.70 0.00 0.00 55.95 57.46 1t0g s SER 78 Cb 0.19 -2.10 0.21 0.00 -1.71 0.00 0.00 66.02 62.61 1t0g s SER 78 CO 0.57 -0.18 0.74 0.18 1.20 0.00 0.00 173.24 175.75 1t0g n LEU 79 N -0.99 4.00 -3.86 3.45 4.77 -1.26 -3.76 117.00 119.35 1t0g n LEU 79 Ca -0.03 -5.16 -0.10 0.00 -0.03 0.00 0.00 56.01 50.70 1t0g n LEU 79 Cb 0.54 -1.03 -0.09 0.00 -2.33 0.00 0.00 43.42 40.52 1t0g n LEU 79 CO 0.48 1.61 -0.12 -1.83 -1.33 0.00 0.00 177.39 176.20 1t0g s GLU 80 N -1.44 0.68 0.00 3.23 4.04 -1.26 -4.79 118.70 119.16 1t0g s GLU 80 Ca 0.27 -0.65 0.00 0.00 0.04 0.00 0.00 54.97 54.63 1t0g s GLU 80 Cb -0.06 0.28 0.00 0.00 0.02 0.00 0.00 34.13 34.37 1t0g s GLU 80 CO -0.13 -0.19 0.00 0.41 -1.84 0.00 0.00 175.26 173.51 1t0g n GLY 81 N 0.69 0.62 2.79 -3.83 0.00 -1.26 -4.95 105.19 99.26 1t0g n GLY 81 Ca -0.19 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 1t0g n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t0g s LEU 82 N 0.00 1.28 0.70 0.99 1.43 -1.26 -4.97 118.68 116.84 1t0g s LEU 82 Ca 0.00 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1t0g s LEU 82 Cb 0.00 -0.06 0.11 0.00 0.03 0.00 0.00 46.19 46.27 1t0g s LEU 82 CO 0.00 -0.10 0.97 0.28 0.23 0.00 0.00 176.35 177.73 1t0g s THR 83 N 0.84 2.23 0.22 5.49 -1.32 -1.26 -4.84 115.64 117.00 1t0g s THR 83 Ca -0.07 -0.55 -0.07 0.00 -1.21 0.00 0.00 61.69 59.78 1t0g s THR 83 Cb -0.10 -2.68 0.18 0.00 -1.51 0.00 0.00 72.50 68.39 1t0g s THR 83 CO -0.02 0.00 1.73 -0.08 -2.21 0.00 0.00 174.62 174.04 1t0g h GLU 84 N -0.48 0.39 -0.91 7.08 4.81 -2.01 0.82 114.58 124.27 1t0g h GLU 84 Ca -0.38 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1t0g h GLU 84 Cb 1.27 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1t0g h GLU 84 CO 0.44 0.26 0.57 -0.22 -0.73 0.00 0.00 179.01 179.32 1t0g h LYS 85 N 0.41 1.23 -0.08 1.92 3.11 -1.99 0.15 116.57 121.31 1t0g h LYS 85 Ca 0.35 -0.10 -0.12 0.00 -2.81 0.00 0.00 60.65 57.98 1t0g h LYS 85 Cb 0.49 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 31.44 1t0g h LYS 85 CO -0.36 0.85 -0.47 0.93 -2.81 0.00 0.00 179.45 177.59 1t0g h GLU 86 N 1.25 0.21 -0.18 1.90 5.08 -1.33 -2.37 114.58 119.14 1t0g h GLU 86 Ca 0.33 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.41 1t0g h GLU 86 Cb -0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1t0g h GLU 86 CO -0.06 0.64 -0.58 0.82 -1.00 0.00 0.00 179.01 178.82 1t0g h ILE 87 N 0.17 1.32 -0.85 3.13 2.04 -0.06 -2.85 117.51 120.41 1t0g h ILE 87 Ca 0.01 -1.83 0.16 0.00 1.00 0.00 0.00 64.86 64.19 1t0g h ILE 87 Cb 0.89 1.80 -0.06 0.00 -0.74 0.00 0.00 36.82 38.71 1t0g h ILE 87 CO 0.07 0.57 0.56 0.78 0.00 0.00 0.00 178.15 180.13 1t0g h ASN 88 N 0.44 0.53 -0.21 1.72 2.35 -0.46 0.69 115.58 120.65 1t0g h ASN 88 Ca 0.00 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1t0g h ASN 88 Cb 1.13 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 1t0g h ASN 88 CO 0.11 0.26 0.09 0.74 -1.65 0.00 0.00 177.43 176.98 1t0g h THR 89 N 0.56 1.15 -0.24 2.81 2.02 -1.34 -1.08 112.91 116.78 1t0g h THR 89 Ca 0.43 -0.44 -0.18 0.00 0.77 0.00 0.00 66.41 66.99 1t0g h THR 89 Cb 0.84 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1t0g h THR 89 CO -0.18 0.15 -0.58 0.25 0.37 0.00 0.00 175.52 175.53 1t0g h LEU 90 N 0.19 0.87 -1.05 2.58 5.85 -1.06 -2.08 115.31 120.61 1t0g h LEU 90 Ca 0.07 -0.48 0.09 0.00 0.84 0.00 0.00 57.88 58.40 1t0g h LEU 90 Cb 0.15 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 1t0g h LEU 90 CO -0.01 1.26 0.63 -1.13 -0.34 0.00 0.00 178.44 178.85 1t0g h ASN 91 N 0.59 0.95 -0.24 1.25 -0.73 0.43 0.24 115.58 118.07 1t0g h ASN 91 Ca 0.00 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.16 1t0g h ASN 91 Cb 1.18 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.58 1t0g h ASN 91 CO 0.12 0.56 -0.02 -0.78 -0.37 0.00 0.00 177.43 176.95 1t0g h ASP 92 N 1.05 0.44 -0.77 1.15 3.58 -1.04 -3.22 116.42 117.61 1t0g h ASP 92 Ca 0.45 -0.33 0.07 0.00 0.42 0.00 0.00 57.03 57.64 1t0g h ASP 92 Cb 0.33 -0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.20 1t0g h ASP 92 CO -0.20 0.66 0.45 -0.50 -2.88 0.00 0.00 179.24 176.77 1t0g h TRP 93 N 0.21 0.83 -0.05 0.28 -0.00 -0.16 -2.53 115.95 114.53 1t0g h TRP 93 Ca 0.07 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 59.01 1t0g h TRP 93 Cb 0.44 -0.26 -0.06 0.00 -0.00 0.00 0.00 29.16 29.29 1t0g h TRP 93 CO 0.04 0.40 -0.53 0.93 -0.00 0.00 0.00 178.44 179.28 1t0g h GLU 94 N 0.82 -0.61 -0.90 0.49 5.08 -0.66 -1.16 114.58 117.64 1t0g h GLU 94 Ca 0.34 0.04 0.19 0.00 -1.00 0.00 0.00 59.36 58.93 1t0g h GLU 94 Cb 0.21 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 1t0g h GLU 94 CO -0.19 -0.40 0.59 1.15 -1.00 0.00 0.00 179.01 179.16 1t0g h THR 95 N -0.63 0.72 0.03 1.13 2.02 -1.51 0.66 112.91 115.34 1t0g h THR 95 Ca 0.02 -0.17 -0.12 0.00 0.77 0.00 0.00 66.41 66.91 1t0g h THR 95 Cb 0.70 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1t0g h THR 95 CO -0.38 0.09 -0.49 0.11 0.37 0.00 0.00 175.52 175.22 1t0g h LYS 96 N 0.50 0.27 -0.10 6.66 1.79 -0.96 -3.00 116.57 121.74 1t0g h LYS 96 Ca 0.47 -0.34 -0.20 0.00 -2.18 0.00 0.00 60.65 58.40 1t0g h LYS 96 Cb 1.04 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1t0g h LYS 96 CO -0.20 1.07 -0.75 0.74 -1.08 0.00 0.00 179.45 179.23 1t0g h PHE 97 N -0.37 0.70 0.00 -1.35 0.04 -0.34 -2.82 116.94 112.80 1t0g h PHE 97 Ca -0.07 -0.31 -0.00 0.00 2.80 0.00 0.00 57.97 60.39 1t0g h PHE 97 Cb 1.27 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 39.32 1t0g h PHE 97 CO 0.18 1.09 -0.00 0.93 -0.60 0.00 0.00 178.31 179.91 1t0g h GLU 98 N 0.35 0.00 0.00 1.51 5.08 0.25 0.23 114.58 122.01 1t0g h GLU 98 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1t0g h GLU 98 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1t0g h GLU 98 CO 0.14 0.00 -0.99 0.00 -1.00 0.00 0.00 179.01 177.16 1t0g n ALA 99 N -2.11 3.66 -0.11 3.43 0.00 -1.07 -4.49 120.51 119.83 1t0g n ALA 99 Ca -0.03 -0.44 -0.23 0.00 0.00 0.00 0.00 53.44 52.75 1t0g n ALA 99 Cb 0.09 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 1t0g n ALA 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1t0g n LYS 100 N -1.82 0.49 -4.31 0.00 5.02 -0.27 -4.97 118.16 112.29 1t0g n LYS 100 Ca 0.03 0.21 -0.35 0.00 -2.02 0.00 0.00 58.31 56.18 1t0g n LYS 100 Cb 0.41 -1.32 -0.10 0.00 -0.02 0.00 0.00 35.03 34.00 1t0g n LYS 100 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1t0g s TYR 101 N -2.47 3.15 0.21 2.13 2.02 0.65 -5.08 117.35 117.95 1t0g s TYR 101 Ca -0.31 0.05 -0.30 0.00 -0.37 0.00 0.00 57.07 56.13 1t0g s TYR 101 Cb 0.11 -1.89 -0.08 0.00 -0.40 0.00 0.00 41.96 39.70 1t0g s TYR 101 CO 0.40 0.28 1.15 -1.25 -1.57 0.00 0.00 175.55 174.56 1t0g s PRO 102 N -0.34 4.56 -0.47 -1.71 0.04 -1.26 -4.45 135.00 131.37 1t0g s PRO 102 Ca 0.07 1.82 -0.25 0.00 0.04 0.00 0.00 61.00 62.68 1t0g s PRO 102 Cb -0.12 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 31.21 1t0g s PRO 102 CO 0.02 0.03 0.90 0.14 0.04 0.00 0.00 177.00 178.14 1t0g s VAL 103 N -0.40 4.49 -0.70 -0.36 -7.23 -1.26 -2.50 120.40 112.44 1t0g s VAL 103 Ca 0.50 0.64 0.05 0.00 -1.81 0.00 0.00 61.98 61.35 1t0g s VAL 103 Cb -0.32 -4.43 0.26 0.00 0.56 0.00 0.00 36.38 32.46 1t0g s VAL 103 CO 0.38 -0.85 0.87 1.33 -0.31 0.00 0.00 175.10 176.51 1t0g n VAL 104 N 6.35 2.84 -0.14 1.32 0.24 0.26 -4.90 118.33 124.30 1t0g n VAL 104 Ca 0.05 -5.35 0.00 0.00 -2.04 0.00 0.00 64.34 57.00 1t0g n VAL 104 Cb 0.48 -2.05 0.00 0.00 -1.47 0.00 0.00 33.84 30.80 1t0g n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1t0g n GLY 105 N 0.83 -0.51 2.77 7.63 0.00 -1.17 -4.45 105.19 110.30 1t0g n GLY 105 Ca 0.30 -1.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 1t0g n GLY 105 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1t0g s ARG 106 N -1.45 -0.03 -0.14 1.61 6.06 0.11 -0.52 118.95 124.59 1t0g s ARG 106 Ca 0.00 0.25 -0.08 0.00 -2.50 0.00 0.00 55.73 53.40 1t0g s ARG 106 Cb 0.00 -0.28 -0.04 0.00 0.06 0.00 0.00 34.95 34.68 1t0g s ARG 106 CO 0.00 -0.20 0.14 0.54 -2.50 0.00 0.00 175.30 173.28 1t0g s VAL 107 N 1.30 5.47 0.05 7.11 0.11 0.93 0.10 120.40 135.47 1t0g s VAL 107 Ca -0.06 0.22 0.07 0.00 -2.93 0.00 0.00 61.98 59.27 1t0g s VAL 107 Cb -0.13 -3.43 -0.03 0.00 -1.53 0.00 0.00 36.38 31.27 1t0g s VAL 107 CO -0.03 0.57 -0.19 0.68 -3.33 0.00 0.00 175.10 172.79 1t0g s VAL 108 N -0.65 1.57 0.00 2.04 -7.23 0.13 -4.78 120.40 111.48 1t0g s VAL 108 Ca 0.13 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 1t0g s VAL 108 Cb -0.12 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.44 1t0g s VAL 108 CO 0.03 0.13 0.00 -1.54 -0.31 0.00 0.00 175.10 173.41